SCHEMBL5077279

SCHEMBL5077279

NC(=O)c1cccc2[nH]c(-c3c[nH]c4ccccc34)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
ATM Q13315 1/20 0.55
PIM1 P11309 2/20 0.46
PIM3 Q86V86 1/20 0.46
ASH1L Q9NR48 1/20 0.46
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
PBRM1 Q86U86 1/20 0.41
AKT1 P31749 1/20 0.40
PRKD3 O94806 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCG P05129 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6028912 0.83 ALDH1A1 (0.51) ALDH1A1ATMPIM1PIM3ASH1L
SCHEMBL5073378 0.82 KDM4E (0.49) ALDH1A1ATMPIM1PIM3BRD4
SCHEMBL28305303 0.78 ALDH1A1 (0.67) ALDH1A1ATMPIM1PIM3ASH1L
SCHEMBL3673827 0.78 ALDH1A1 (0.67) ALDH1A1ATMPIM1PIM3ASH1L
SCHEMBL5074093 0.77 KDM4E (0.53) ALDH1A1ATMBRD4KDM4EGAA
SCHEMBL5074231 0.77 KDM4E (0.45) ALDH1A1KDM4EMAPT
SCHEMBL5074225 0.76 BRD4 (0.54) ALDH1A1PIM1PIM3BRD4KDM4E
SCHEMBL27313043 0.75 ALDH1A1 (0.58) ALDH1A1ATMPIM1PIM3ASH1L
SCHEMBL5074027 0.75 PARP1 (0.49) ALDH1A1PIM1PIM3BRD4KDM4E
SCHEMBL6802028 0.74 PARP1 (0.66) PIM1PIM3RPS6KB1PRKD3PRKACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 ALDH1A1 712/4885ATM 734/4885PIM1 4627/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 ALDH1A1 522/4885ATM 500/4885PIM1 343/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.